| SpectraBase Spectrum ID |
ZV4jtVBzBI |
| Name |
1,2-Cyclohexanedicarboxylic acid, furfuryl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.365824705 u |
| Formula |
C28H50O5 |
| InChI |
InChI=1S/C28H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-32-27(29)25-19-14-15-20-26(25)28(30)33-23-24-18-17-22-31-24/h24-26H,2-23H2,1H3 |
| InChIKey |
VNMFCFCXDJAVQN-UHFFFAOYSA-N |
| Molecular Weight |
466.703 g/mol |
| SMILES |
C(OC(C1CCCCC1C(OCCCCCCCCCCCCCCC)=O)=O)C1OCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921412 |
